6-[(4-chlorophenyl)diazenyl]-4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride

C14H15Cl2N3O3 — CID 135439959

IUPAC6-[(4-chlorophenyl)diazenyl]-4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride
SMILESCc1nc(/N=N/c2ccc(Cl)cc2)c(CO)c(CO)c1O.Cl
InChIInChI=1S/C14H14ClN3O3.ClH/c1-8-13(21)11(6-19)12(7-20)14(16-8)18-17-10-4-2-9(15)3-5-10;/h2-5,19-21H,6-7H2,1H3;1H/b18-17+;
InChIKeyJKPTYMXHRRAHNB-ZAGWXBKKSA-N
MW344.20 g/mol
LogP3.57
Rot. Bonds4

About 6-[(4-chlorophenyl)diazenyl]-4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride

6-[(4-chlorophenyl)diazenyl]-4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride (PubChem CID 135439959) has the molecular formula C14H15Cl2N3O3 and a molecular weight of 344.20 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)diazenyl]-4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride.

Molecular Properties

Compound Name6-[(4-chlorophenyl)diazenyl]-4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride
PubChem CID135439959
Molecular FormulaC14H15Cl2N3O3
Molecular Weight344.20 g/mol
Exact Mass343.05
IUPAC Name6-[(4-chlorophenyl)diazenyl]-4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride
SMILESCc1nc(/N=N/c2ccc(Cl)cc2)c(CO)c(CO)c1O.Cl
InChIInChI=1S/C14H14ClN3O3.ClH/c1-8-13(21)11(6-19)12(7-20)14(16-8)18-17-10-4-2-9(15)3-5-10;/h2-5,19-21H,6-7H2,1H3;1H/b18-17+;
InChIKeyJKPTYMXHRRAHNB-ZAGWXBKKSA-N
XLogP3.57
TPSA98.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.20
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 6-[(4-chlorophenyl)diazenyl]-4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)diazenyl]-4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride?
The IUPAC name of 6-[(4-chlorophenyl)diazenyl]-4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride (CID 135439959) is 6-[(4-chlorophenyl)diazenyl]-4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride.
What is the SMILES notation for 6-[(4-chlorophenyl)diazenyl]-4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride?
The canonical SMILES for 6-[(4-chlorophenyl)diazenyl]-4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride is Cc1nc(/N=N/c2ccc(Cl)cc2)c(CO)c(CO)c1O.Cl.
What is the InChIKey of 6-[(4-chlorophenyl)diazenyl]-4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride?
The InChIKey is JKPTYMXHRRAHNB-ZAGWXBKKSA-N. The full InChI is InChI=1S/C14H14ClN3O3.ClH/c1-8-13(21)11(6-19)12(7-20)14(16-8)18-17-10-4-2-9(15)3-5-10;/h2-5,19-21H,6-7H2,1H3;1H/b18-17+;.
What are the key properties of 6-[(4-chlorophenyl)diazenyl]-4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride?
6-[(4-chlorophenyl)diazenyl]-4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride has a molecular weight of 344.20 g/mol, XLogP of 3.57, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)diazenyl]-4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride is sourced from PubChem (CID 135439959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).